Information card for entry 4072983

Structure parameters

• Common name: GB-488 (Beer-Sheva)
• Formula: C20 H21 N5 O2 Si
• Calculated formula: C20 H21 N5 O2 Si
• SMILES: [Si]12(OC(=NN1C(c1ccccc1)C#N)C)(OC(=N[N]2=Cc1ccccc1)C)C
• Title of publication: Competitive Molecular Rearrangements in Hexacoordinate Cyano-Silicon Dichelates
• Authors of publication: Kalikhman, Inna; Gostevskii, Boris; Kertsnus, Evgenia; Botoshansky, Mark; Tessier, Claire A.; Youngs, Wiley J.; Deuerlein, Stephan; Stalke, Dietmar; Kost, Daniel
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 2652
• a: 8.323 ± 0.002 Å
• b: 11.282 ± 0.002 Å
• c: 11.88 ± 0.002 Å
• α: 65.24 ± 0.02°
• β: 78.28 ± 0.02°
• γ: 87.6 ± 0.02°
• Cell volume: 990.7 ± 0.4 ų
• Cell temperature: 230 ± 1 K
• Ambient diffraction temperature: 230 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No